# generated using pymatgen
data_GaW48S95
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.14455100
_cell_length_b   22.10622300
_cell_length_c   14.20054100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaW48S95
_chemical_formula_sum   'Ga1 W48 S95'
_cell_volume   6009.86369232
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ga  Ga1  1  0.083333  0.792190  0.295725  1
  W  W2  1  0.003277  0.751638  0.509293  1
  W  W3  1  0.083333  0.871649  0.509294  1
  W  W4  1  0.000173  0.500906  0.500949  1
  W  W5  1  0.083333  0.626986  0.504855  1
  W  W6  1  0.163390  0.751638  0.509293  1
  W  W7  1  0.248081  0.873969  0.504753  1
  W  W8  1  0.000091  0.249950  0.499324  1
  W  W9  1  0.083333  0.375434  0.499910  1
  W  W10  1  0.166494  0.500907  0.500948  1
  W  W11  1  0.249379  0.626042  0.501337  1
  W  W12  1  0.332124  0.750051  0.501271  1
  W  W13  1  0.415924  0.874615  0.500916  1
  W  W14  1  0.000651  -0.001048  0.501457  1
  W  W15  1  0.083333  0.124474  0.499701  1
  W  W16  1  0.166575  0.249950  0.499324  1
  W  W17  1  0.249796  0.375329  0.499376  1
  W  W18  1  0.332977  0.500662  0.499291  1
  W  W19  1  0.416249  0.625353  0.499208  1
  W  W20  1  0.499611  0.750007  0.499331  1
  W  W21  1  0.583333  0.874744  0.499889  1
  W  W22  1  0.166016  -0.001049  0.501457  1
  W  W23  1  0.249518  0.124424  0.499675  1
  W  W24  1  0.333059  0.249886  0.499058  1
  W  W25  1  0.416436  0.375244  0.498669  1
  W  W26  1  0.499891  0.500322  0.498420  1
  W  W27  1  0.583333  0.625337  0.498534  1
  W  W28  1  0.667056  0.750007  0.499332  1
  W  W29  1  0.750742  0.874614  0.500916  1
  W  W30  1  0.332566  -0.000680  0.501006  1
  W  W31  1  0.416349  0.124630  0.499580  1
  W  W32  1  0.499845  0.249888  0.498874  1
  W  W33  1  0.583333  0.375190  0.498411  1
  W  W34  1  0.666776  0.500322  0.498420  1
  W  W35  1  0.750417  0.625353  0.499208  1
  W  W36  1  0.834543  0.750051  0.501271  1
  W  W37  1  0.918586  0.873969  0.504753  1
  W  W38  1  0.499685  -0.000437  0.500238  1
  W  W39  1  0.583333  0.124656  0.499529  1
  W  W40  1  0.666822  0.249888  0.498873  1
  W  W41  1  0.750230  0.375244  0.498670  1
  W  W42  1  0.833689  0.500662  0.499292  1
  W  W43  1  0.917288  0.626042  0.501337  1
  W  W44  1  0.666982  -0.000437  0.500238  1
  W  W45  1  0.750318  0.124630  0.499580  1
  W  W46  1  0.833608  0.249886  0.499058  1
  W  W47  1  0.916871  0.375330  0.499376  1
  W  W48  1  0.834101  -0.000680  0.501006  1
  W  W49  1  0.917149  0.124424  0.499674  1
  S  S50  1  0.164056  0.912425  0.394254  1
  S  S51  1  0.083333  0.544091  0.391822  1
  S  S52  1  0.163760  0.670739  0.394281  1
  S  S53  1  0.244510  0.791780  0.394233  1
  S  S54  1  0.331057  0.915394  0.391771  1
  S  S55  1  0.083333  0.291997  0.388956  1
  S  S56  1  0.166358  0.417757  0.389536  1
  S  S57  1  0.248957  0.543092  0.389807  1
  S  S58  1  0.332071  0.667394  0.389743  1
  S  S59  1  0.415065  0.791743  0.389761  1
  S  S60  1  0.499277  0.916180  0.389753  1
  S  S61  1  0.083334  0.040388  0.389987  1
  S  S62  1  0.166485  0.166203  0.388876  1
  S  S63  1  0.249679  0.291841  0.388656  1
  S  S64  1  0.332812  0.417235  0.388553  1
  S  S65  1  0.416067  0.542198  0.388269  1
  S  S66  1  0.499518  0.667043  0.388242  1
  S  S67  1  0.583333  0.791726  0.388832  1
  S  S68  1  0.667389  0.916180  0.389752  1
  S  S69  1  0.249130  0.040223  0.389988  1
  S  S70  1  0.332872  0.166087  0.388925  1
  S  S71  1  0.416369  0.291591  0.388387  1
  S  S72  1  0.499779  0.416886  0.387957  1
  S  S73  1  0.583333  0.542072  0.387796  1
  S  S74  1  0.667148  0.667043  0.388243  1
  S  S75  1  0.751602  0.791743  0.389762  1
  S  S76  1  0.835610  0.915394  0.391771  1
  S  S77  1  0.415860  0.040749  0.389761  1
  S  S78  1  0.499791  0.166118  0.388848  1
  S  S79  1  0.583333  0.291499  0.388297  1
  S  S80  1  0.666888  0.416886  0.387957  1
  S  S81  1  0.750600  0.542198  0.388270  1
  S  S82  1  0.834596  0.667393  0.389743  1
  S  S83  1  0.922156  0.791780  0.394232  1
  S  S84  1  0.002611  0.912425  0.394254  1
  S  S85  1  0.583334  0.040971  0.389525  1
  S  S86  1  0.666876  0.166118  0.388848  1
  S  S87  1  0.750297  0.291591  0.388387  1
  S  S88  1  0.833854  0.417235  0.388554  1
  S  S89  1  0.917710  0.543091  0.389808  1
  S  S90  1  0.002906  0.670739  0.394281  1
  S  S91  1  0.750806  0.040748  0.389761  1
  S  S92  1  0.833795  0.166087  0.388925  1
  S  S93  1  0.916986  0.291842  0.388657  1
  S  S94  1  0.000309  0.417757  0.389536  1
  S  S95  1  0.917537  0.040223  0.389987  1
  S  S96  1  0.000182  0.166203  0.388877  1
  S  S97  1  0.083334  0.791630  0.623105  1
  S  S98  1  0.165666  0.916949  0.616130  1
  S  S99  1  0.083333  0.541779  0.612746  1
  S  S100  1  0.167597  0.667245  0.616144  1
  S  S101  1  0.249947  0.790659  0.616075  1
  S  S102  1  0.333316  0.916460  0.612678  1
  S  S103  1  0.083333  0.291675  0.610016  1
  S  S104  1  0.166770  0.416884  0.610638  1
  S  S105  1  0.250308  0.542177  0.611178  1
  S  S106  1  0.333547  0.666678  0.611263  1
  S  S107  1  0.416547  0.791179  0.611123  1
  S  S108  1  0.499988  0.916260  0.610905  1
  S  S109  1  0.083333  0.041639  0.611504  1
  S  S110  1  0.166510  0.166559  0.610150  1
  S  S111  1  0.249912  0.291759  0.609759  1
  S  S112  1  0.333345  0.417023  0.609584  1
  S  S113  1  0.416755  0.541912  0.609562  1
  S  S114  1  0.500023  0.666646  0.609634  1
  S  S115  1  0.583333  0.791299  0.610023  1
  S  S116  1  0.666679  0.916260  0.610905  1
  S  S117  1  0.249416  0.041505  0.611348  1
  S  S118  1  0.332978  0.166540  0.609870  1
  S  S119  1  0.416517  0.291803  0.609293  1
  S  S120  1  0.499978  0.416942  0.608961  1
  S  S121  1  0.583333  0.541933  0.608977  1
  S  S122  1  0.666643  0.666646  0.609634  1
  S  S123  1  0.750120  0.791179  0.611124  1
  S  S124  1  0.833350  0.916460  0.612678  1
  S  S125  1  0.416381  0.041488  0.610788  1
  S  S126  1  0.499840  0.166619  0.609769  1
  S  S127  1  0.583333  0.291803  0.609114  1
  S  S128  1  0.666688  0.416942  0.608962  1
  S  S129  1  0.749912  0.541912  0.609562  1
  S  S130  1  0.833120  0.666677  0.611264  1
  S  S131  1  0.916720  0.790660  0.616075  1
  S  S132  1  0.001000  0.916950  0.616130  1
  S  S133  1  0.583334  0.041440  0.610488  1
  S  S134  1  0.666827  0.166619  0.609769  1
  S  S135  1  0.750149  0.291803  0.609293  1
  S  S136  1  0.833322  0.417023  0.609584  1
  S  S137  1  0.916358  0.542177  0.611178  1
  S  S138  1  -0.000930  0.667245  0.616145  1
  S  S139  1  0.750286  0.041488  0.610788  1
  S  S140  1  0.833688  0.166540  0.609870  1
  S  S141  1  0.916755  0.291759  0.609759  1
  S  S142  1  -0.000104  0.416884  0.610638  1
  S  S143  1  0.917251  0.041505  0.611347  1
  S  S144  1  0.000157  0.166559  0.610149  1
